MolNFT v1 · #102099 · protein
Crystal structure of human alpha-L-iduronidase in the P212121 form
4OBS: “Crystal structure of human alpha-L-iduronidase in the P212121 form”. X-ray diffraction, 5 ligands (NAG, MAN, BMA), 5 pockets (best druggability 0.56). MolNFT v1 #102099 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4OBS
- Type
- protein
- Length
- 594 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-L-iduronidase
- EC
- 3.2.1.76
- UniProt
- P35475
- Ligands
- NAG, MAN, BMA, CL, SO4
- Pockets
- 5 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-L-iduronidase (EC 3.2.1.76) | protein | 594 | 27% helix, 31% strand | P35475 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · 3 copies · chains A
- BMA · beta-D-mannopyranose · sugar · chains A
- CL · Chloride ion · ion · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 6 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 165 | 0.56 | 0.81 | 24 | empty |
| 2 | 146 | 0.47 | 0.77 | 26 | empty |
| 3 | 128 | 0.45 | 0.78 | 32 | empty |
| 4 | 92 | 0.42 | 0.78 | 20 | GOL |
| 5 | 100 | 0.36 | 0.74 | 23 | empty |
Modifications
Observed in the structure: 3 glycan, 1 disulfide (N-glycosylation, disulfide).
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P35475
- Elsewhere: RCSB PDB 4OBS · PDBe 4OBS · UniProt P35475
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